1-dibenzofuran-1-yl-3-(3,4-diphenylphenyl)dibenzofuran;1-dibenzothiophen-1-yl-3-(2,4-diphenylphenyl)dibenzofuran;1-[3-(3,5-diphenylphenyl)dibenzothiophen-1-yl]dibenzofuran

C126H78O4S2 — CID 165081711

IUPAC1-dibenzofuran-1-yl-3-(3,4-diphenylphenyl)dibenzofuran;1-dibenzothiophen-1-yl-3-(2,4-diphenylphenyl)dibenzofuran;1-[3-(3,5-diphenylphenyl)dibenzothiophen-1-yl]dibenzofuran
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4cccc5oc6ccccc6c45)c4c(c3)sc3ccccc34)c2)cc1.c1ccc(-c2ccc(-c3cc(-c4cccc5oc6ccccc6c45)c4c(c3)oc3ccccc34)cc2-c2ccccc2)cc1.c1ccc(-c2ccc(-c3cc(-c4cccc5sc6ccccc6c45)c4c(c3)oc3ccccc34)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C42H26O2.2C42H26OS/c1-3-12-27(13-4-1)31-23-22-29(24-35(31)28-14-5-2-6-15-28)30-25-36(42-34-17-8-10-20-38(34)44-40(42)26-30)32-18-11-21-39-41(32)33-16-7-9-19-37(33)43-39;1-3-12-27(13-4-1)29-22-30(28-14-5-2-6-15-28)24-31(23-29)32-25-36(42-35-17-8-10-21-39(35)44-40(42)26-32)33-18-11-20-38-41(33)34-16-7-9-19-37(34)43-38;1-3-12-27(13-4-1)29-22-23-31(35(24-29)28-14-5-2-6-15-28)30-25-36(41-33-16-7-9-19-37(33)43-38(41)26-30)32-18-11-21-40-42(32)34-17-8-10-20-39(34)44-40/h3*1-26H
InChIKeyVFRWIFZMUFAUSP-UHFFFAOYSA-N
MW1720.14 g/mol
LogP37.40
Rot. Bonds12

About 1-dibenzofuran-1-yl-3-(3,4-diphenylphenyl)dibenzofuran;1-dibenzothiophen-1-yl-3-(2,4-diphenylphenyl)dibenzofuran;1-[3-(3,5-diphenylphenyl)dibenzothiophen-1-yl]dibenzofuran

1-dibenzofuran-1-yl-3-(3,4-diphenylphenyl)dibenzofuran;1-dibenzothiophen-1-yl-3-(2,4-diphenylphenyl)dibenzofuran;1-[3-(3,5-diphenylphenyl)dibenzothiophen-1-yl]dibenzofuran (PubChem CID 165081711) has the molecular formula C126H78O4S2 and a molecular weight of 1720.14 g/mol. Its IUPAC name is 1-dibenzofuran-1-yl-3-(3,4-diphenylphenyl)dibenzofuran;1-dibenzothiophen-1-yl-3-(2,4-diphenylphenyl)dibenzofuran;1-[3-(3,5-diphenylphenyl)dibenzothiophen-1-yl]dibenzofuran.

Molecular Properties

Compound Name1-dibenzofuran-1-yl-3-(3,4-diphenylphenyl)dibenzofuran;1-dibenzothiophen-1-yl-3-(2,4-diphenylphenyl)dibenzofuran;1-[3-(3,5-diphenylphenyl)dibenzothiophen-1-yl]dibenzofuran
PubChem CID165081711
Molecular FormulaC126H78O4S2
Molecular Weight1720.14 g/mol
Exact Mass1718.53
IUPAC Name1-dibenzofuran-1-yl-3-(3,4-diphenylphenyl)dibenzofuran;1-dibenzothiophen-1-yl-3-(2,4-diphenylphenyl)dibenzofuran;1-[3-(3,5-diphenylphenyl)dibenzothiophen-1-yl]dibenzofuran
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4cccc5oc6ccccc6c45)c4c(c3)sc3ccccc34)c2)cc1.c1ccc(-c2ccc(-c3cc(-c4cccc5oc6ccccc6c45)c4c(c3)oc3ccccc34)cc2-c2ccccc2)cc1.c1ccc(-c2ccc(-c3cc(-c4cccc5sc6ccccc6c45)c4c(c3)oc3ccccc34)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C42H26O2.2C42H26OS/c1-3-12-27(13-4-1)31-23-22-29(24-35(31)28-14-5-2-6-15-28)30-25-36(42-34-17-8-10-20-38(34)44-40(42)26-30)32-18-11-21-39-41(32)33-16-7-9-19-37(33)43-39;1-3-12-27(13-4-1)29-22-30(28-14-5-2-6-15-28)24-31(23-29)32-25-36(42-35-17-8-10-21-39(35)44-40(42)26-32)33-18-11-20-38-41(33)34-16-7-9-19-37(34)43-38;1-3-12-27(13-4-1)29-22-23-31(35(24-29)28-14-5-2-6-15-28)30-25-36(41-33-16-7-9-19-37(33)43-38(41)26-30)32-18-11-21-40-42(32)34-17-8-10-20-39(34)44-40/h3*1-26H
InChIKeyVFRWIFZMUFAUSP-UHFFFAOYSA-N
XLogP37.40
TPSA52.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms132
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001720.14
LogP ≤ 537.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-dibenzofuran-1-yl-3-(3,4-diphenylphenyl)dibenzofuran;1-dibenzothiophen-1-yl-3-(2,4-diphenylphenyl)dibenzofuran;1-[3-(3,5-diphenylphenyl)dibenzothiophen-1-yl]dibenzofuran with MolForge

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Related Compounds

3-dibenzothiophen-1-yl-1-[4-(3,4-diphenylphenyl)phenyl]dibenzothiophene
CID 165093475
2,4-diphenyl-6-[9-(3-phenyldibenzothiophen-1-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170198709
N-(4-dibenzofuran-1-ylphenyl)-4-(3-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)aniline
CID 164835622
4-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)aniline
CID 164835628
2-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 155079040
2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 155078795
N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-4-(4-dibenzothiophen-3-ylphenyl)aniline
CID 164835604
2-(3-dibenzofuran-3-yl-5-dibenzothiophen-1-ylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 163547459
2-dibenzofuran-1-yl-4-phenyl-6-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 155328942
1-[3,5-bis(3-phenylphenyl)phenyl]dibenzofuran
CID 154618828
N-(4-dibenzofuran-1-ylphenyl)-1-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 171435301
3-dibenzothiophen-2-yl-1-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 167306851

Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-1-yl-3-(3,4-diphenylphenyl)dibenzofuran;1-dibenzothiophen-1-yl-3-(2,4-diphenylphenyl)dibenzofuran;1-[3-(3,5-diphenylphenyl)dibenzothiophen-1-yl]dibenzofuran?
The IUPAC name of 1-dibenzofuran-1-yl-3-(3,4-diphenylphenyl)dibenzofuran;1-dibenzothiophen-1-yl-3-(2,4-diphenylphenyl)dibenzofuran;1-[3-(3,5-diphenylphenyl)dibenzothiophen-1-yl]dibenzofuran (CID 165081711) is 1-dibenzofuran-1-yl-3-(3,4-diphenylphenyl)dibenzofuran;1-dibenzothiophen-1-yl-3-(2,4-diphenylphenyl)dibenzofuran;1-[3-(3,5-diphenylphenyl)dibenzothiophen-1-yl]dibenzofuran.
What is the SMILES notation for 1-dibenzofuran-1-yl-3-(3,4-diphenylphenyl)dibenzofuran;1-dibenzothiophen-1-yl-3-(2,4-diphenylphenyl)dibenzofuran;1-[3-(3,5-diphenylphenyl)dibenzothiophen-1-yl]dibenzofuran?
The canonical SMILES for 1-dibenzofuran-1-yl-3-(3,4-diphenylphenyl)dibenzofuran;1-dibenzothiophen-1-yl-3-(2,4-diphenylphenyl)dibenzofuran;1-[3-(3,5-diphenylphenyl)dibenzothiophen-1-yl]dibenzofuran is c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4cccc5oc6ccccc6c45)c4c(c3)sc3ccccc34)c2)cc1.c1ccc(-c2ccc(-c3cc(-c4cccc5oc6ccccc6c45)c4c(c3)oc3ccccc34)cc2-c2ccccc2)cc1.c1ccc(-c2ccc(-c3cc(-c4cccc5sc6ccccc6c45)c4c(c3)oc3ccccc34)c(-c3ccccc3)c2)cc1.
What is the InChIKey of 1-dibenzofuran-1-yl-3-(3,4-diphenylphenyl)dibenzofuran;1-dibenzothiophen-1-yl-3-(2,4-diphenylphenyl)dibenzofuran;1-[3-(3,5-diphenylphenyl)dibenzothiophen-1-yl]dibenzofuran?
The InChIKey is VFRWIFZMUFAUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26O2.2C42H26OS/c1-3-12-27(13-4-1)31-23-22-29(24-35(31)28-14-5-2-6-15-28)30-25-36(42-34-17-8-10-20-38(34)44-40(42)26-30)32-18-11-21-39-41(32)33-16-7-9-19-37(33)43-39;1-3-12-27(13-4-1)29-22-30(28-14-5-2-6-15-28)24-31(23-29)32-25-36(42-35-17-8-10-21-39(35)44-40(42)26-32)33-18-11-20-38-41(33)34-16-7-9-19-37(34)43-38;1-3-12-27(13-4-1)29-22-23-31(35(24-29)28-14-5-2-6-15-28)30-25-36(41-33-16-7-9-19-37(33)43-38(41)26-30)32-18-11-21-40-42(32)34-17-8-10-20-39(34)44-40/h3*1-26H.
What are the key properties of 1-dibenzofuran-1-yl-3-(3,4-diphenylphenyl)dibenzofuran;1-dibenzothiophen-1-yl-3-(2,4-diphenylphenyl)dibenzofuran;1-[3-(3,5-diphenylphenyl)dibenzothiophen-1-yl]dibenzofuran?
1-dibenzofuran-1-yl-3-(3,4-diphenylphenyl)dibenzofuran;1-dibenzothiophen-1-yl-3-(2,4-diphenylphenyl)dibenzofuran;1-[3-(3,5-diphenylphenyl)dibenzothiophen-1-yl]dibenzofuran has a molecular weight of 1720.14 g/mol, XLogP of 37.40, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzofuran-1-yl-3-(3,4-diphenylphenyl)dibenzofuran;1-dibenzothiophen-1-yl-3-(2,4-diphenylphenyl)dibenzofuran;1-[3-(3,5-diphenylphenyl)dibenzothiophen-1-yl]dibenzofuran is sourced from PubChem (CID 165081711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).